2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid

C9H9F3N2O4S — CID 114806531

IUPAC2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid
SMILESCNS(=O)(=O)Nc1ccc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C9H9F3N2O4S/c1-13-19(17,18)14-7-3-2-5(9(10,11)12)4-6(7)8(15)16/h2-4,13-14H,1H3,(H,15,16)
InChIKeyKNUHUOKUPNUXLQ-UHFFFAOYSA-N
MW298.24 g/mol
LogP1.28
Rot. Bonds4

About 2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid

2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid (PubChem CID 114806531) has the molecular formula C9H9F3N2O4S and a molecular weight of 298.24 g/mol. Its IUPAC name is 2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid
PubChem CID114806531
Molecular FormulaC9H9F3N2O4S
Molecular Weight298.24 g/mol
Exact Mass298.02
IUPAC Name2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid
SMILESCNS(=O)(=O)Nc1ccc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C9H9F3N2O4S/c1-13-19(17,18)14-7-3-2-5(9(10,11)12)4-6(7)8(15)16/h2-4,13-14H,1H3,(H,15,16)
InChIKeyKNUHUOKUPNUXLQ-UHFFFAOYSA-N
XLogP1.28
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(propan-2-ylsulfonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269364
2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 22268814
2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid
CID 62710809
2-[(2-hydroxy-2-methylpropyl)amino]-5-(trifluoromethyl)benzoic acid
CID 114093515
2-(2-methylpropanoylamino)-5-(trifluoromethyl)benzoic acid
CID 66270088
2-(butan-2-ylamino)-5-(trifluoromethyl)benzoic acid
CID 62711635
2-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)benzoic acid
CID 63510359
2-methylsulfonyl-5-(trifluoromethyl)benzoic acid
CID 26598188
2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
CID 171356961
2-(butylamino)-5-(trifluoromethyl)benzoic acid
CID 22143324
ethane;5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzoic acid
CID 177315572
2-[[2-methyl-3-(methylamino)propanoyl]amino]-5-(trifluoromethyl)benzoic acid
CID 79203995

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid (CID 114806531) is 2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid is CNS(=O)(=O)Nc1ccc(C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid?
The InChIKey is KNUHUOKUPNUXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O4S/c1-13-19(17,18)14-7-3-2-5(9(10,11)12)4-6(7)8(15)16/h2-4,13-14H,1H3,(H,15,16).
What are the key properties of 2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid?
2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid has a molecular weight of 298.24 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 114806531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).